REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1zv6_1_A DATA FIRST_RESID 9 DATA SEQUENCE PGLQIYPYEM LVVTNKGRTK LPPGVDRMRL ERHLSAEDFS RVFAMSPEEF DATA SEQUENCE GKLALWKRNE LKKKAELF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 P HA 0.000 4.404 4.420 -0.027 0.000 0.216 9 P C 0.000 177.274 177.300 -0.043 0.000 1.155 9 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 9 P CB 0.000 31.681 31.700 -0.032 0.000 0.726 10 G N 1.324 110.096 108.800 -0.047 0.000 2.466 10 G HA2 -0.099 3.816 3.960 -0.075 0.000 0.218 10 G HA3 -0.099 3.813 3.960 -0.080 0.000 0.218 10 G C -1.385 173.481 174.900 -0.057 0.000 1.237 10 G CA -0.571 44.489 45.100 -0.067 0.000 0.954 10 G HN 0.165 8.432 8.290 -0.039 0.000 0.580 11 L N 0.324 121.497 121.223 -0.083 0.000 2.303 11 L HA 0.337 4.696 4.340 0.033 0.000 0.266 11 L C -0.878 175.995 176.870 0.005 0.000 1.011 11 L CA -1.339 53.485 54.840 -0.027 0.000 0.818 11 L CB 1.478 43.434 42.059 -0.173 0.000 1.326 11 L HN 0.005 8.164 8.230 -0.119 0.000 0.435 12 Q N -0.572 119.295 119.800 0.113 0.000 2.304 12 Q HA 0.035 4.292 4.340 -0.138 0.000 0.260 12 Q C -1.291 174.629 176.000 -0.133 0.000 0.965 12 Q CA -0.546 55.221 55.803 -0.060 0.000 0.898 12 Q CB 0.470 29.188 28.738 -0.032 0.000 1.196 12 Q HN 0.289 8.701 8.270 0.237 0.000 0.402 13 I N 2.339 122.687 120.570 -0.370 0.000 2.385 13 I HA 0.848 5.230 4.170 -0.042 -0.238 0.294 13 I C 0.008 175.789 176.117 -0.559 0.000 0.988 13 I CA -1.866 59.271 61.300 -0.272 0.000 1.265 13 I CB 0.591 38.505 38.000 -0.142 0.000 1.388 13 I HN 0.278 8.266 8.210 -0.370 0.000 0.480 14 Y N 6.091 126.436 120.300 0.075 0.000 2.669 14 Y HA 0.436 5.012 4.550 0.044 0.000 0.335 14 Y C -2.910 173.040 175.900 0.083 0.000 1.116 14 Y CA -2.401 55.731 58.100 0.054 0.000 1.081 14 Y CB 1.550 40.021 38.460 0.019 0.000 1.297 14 Y HN 0.291 8.664 8.280 0.154 0.000 0.484 15 P HA -0.057 4.614 4.420 0.191 -0.136 0.271 15 P C -0.654 176.782 177.300 0.228 0.000 1.238 15 P CA -0.074 63.145 63.100 0.198 0.000 0.794 15 P CB 0.728 32.512 31.700 0.140 0.000 0.959 16 Y N 2.227 122.599 120.300 0.120 0.000 2.153 16 Y HA -0.347 4.301 4.550 0.163 0.000 0.289 16 Y C 1.688 177.641 175.900 0.088 0.000 1.119 16 Y CA 3.196 61.370 58.100 0.125 0.000 1.116 16 Y CB 0.483 39.011 38.460 0.113 0.000 1.004 16 Y HN -0.212 8.364 8.280 0.331 -0.098 0.501 17 E N -0.960 119.054 120.200 -0.309 0.000 2.171 17 E HA -0.414 3.514 4.350 -0.704 0.000 0.197 17 E C 2.228 178.689 176.600 -0.231 0.000 0.997 17 E CA 3.243 59.413 56.400 -0.383 0.000 0.810 17 E CB -0.946 28.679 29.700 -0.126 0.000 0.738 17 E HN 0.364 8.751 8.360 0.045 0.000 0.467 18 M N -3.411 116.122 119.600 -0.112 0.000 2.319 18 M HA -0.246 4.175 4.480 -0.099 0.000 0.265 18 M C 0.679 176.918 176.300 -0.101 0.000 1.068 18 M CA 3.105 58.353 55.300 -0.088 0.000 1.118 18 M CB 0.115 32.691 32.600 -0.040 0.000 1.395 18 M HN -0.124 8.109 8.290 -0.050 0.027 0.435 19 L N -3.982 117.201 121.223 -0.066 0.000 2.628 19 L HA 0.102 4.409 4.340 -0.054 0.000 0.229 19 L C -0.815 176.025 176.870 -0.050 0.000 1.137 19 L CA -1.083 53.744 54.840 -0.021 0.000 0.909 19 L CB -0.472 41.657 42.059 0.116 0.000 1.137 19 L HN -0.647 7.410 8.230 -0.054 0.141 0.470 20 V N -2.163 117.648 119.914 -0.172 0.000 3.096 20 V HA -0.397 3.649 4.120 -0.124 0.000 0.306 20 V C -0.417 175.635 176.094 -0.070 0.000 1.088 20 V CA 1.372 63.569 62.300 -0.171 0.000 1.129 20 V CB 0.491 32.141 31.823 -0.288 0.000 1.014 20 V HN -0.977 6.896 8.190 -0.225 0.182 0.486 21 V N 1.056 120.957 119.914 -0.021 0.000 2.398 21 V HA -0.023 4.083 4.120 -0.024 0.000 0.236 21 V C 1.260 177.340 176.094 -0.022 0.000 1.054 21 V CA 2.101 64.394 62.300 -0.012 0.000 1.060 21 V CB 1.188 33.019 31.823 0.014 0.000 0.707 21 V HN -0.179 8.012 8.190 0.002 0.000 0.480 22 T N -0.984 113.569 114.554 -0.002 0.000 3.071 22 T HA 0.222 4.788 4.350 -0.013 -0.224 0.239 22 T C 2.358 177.054 174.700 -0.006 0.000 0.997 22 T CA 2.732 64.831 62.100 -0.001 0.000 1.134 22 T CB 0.396 69.277 68.868 0.021 0.000 0.928 22 T HN -0.560 7.692 8.240 0.020 0.000 0.453 23 N N 2.852 121.553 118.700 0.001 0.000 2.132 23 N HA -0.263 4.481 4.740 0.006 0.000 0.191 23 N C 0.547 176.039 175.510 -0.030 0.000 1.015 23 N CA 3.159 56.206 53.050 -0.005 0.000 0.864 23 N CB -0.036 38.454 38.487 0.005 0.000 1.006 23 N HN 0.026 8.416 8.380 0.017 0.000 0.430 24 K N -2.251 118.113 120.400 -0.059 0.000 2.593 24 K HA 0.203 4.491 4.320 -0.054 0.000 0.208 24 K C -0.968 175.594 176.600 -0.063 0.000 1.051 24 K CA -1.267 54.977 56.287 -0.072 0.000 1.111 24 K CB -0.600 31.827 32.500 -0.121 0.000 0.849 24 K HN -0.268 7.929 8.250 -0.067 0.014 0.479 25 G N -0.610 108.162 108.800 -0.047 0.000 2.295 25 G HA2 -0.097 3.841 3.960 -0.037 0.000 0.155 25 G HA3 -0.097 3.832 3.960 -0.053 0.000 0.155 25 G C -1.698 173.180 174.900 -0.037 0.000 1.307 25 G CA 0.354 45.428 45.100 -0.043 0.000 1.140 25 G HN 0.003 8.095 8.290 -0.037 0.176 0.470 26 R N -1.656 118.818 120.500 -0.043 0.000 5.102 26 R HA 0.419 4.856 4.340 -0.035 -0.118 0.103 26 R C -1.029 175.243 176.300 -0.047 0.000 0.765 26 R CA 0.640 56.716 56.100 -0.039 0.000 0.959 26 R CB 0.559 30.839 30.300 -0.034 0.000 1.436 26 R HN 0.087 8.327 8.270 -0.049 0.000 0.396 27 T N 1.422 115.945 114.554 -0.051 0.000 3.337 27 T HA 0.201 4.515 4.350 -0.060 0.000 0.299 27 T C 0.162 174.819 174.700 -0.072 0.000 0.998 27 T CA -0.378 61.687 62.100 -0.058 0.000 0.948 27 T CB -0.005 68.833 68.868 -0.050 0.000 1.170 27 T HN -0.095 8.116 8.240 -0.049 0.000 0.508 28 K N 1.887 122.242 120.400 -0.074 0.000 2.743 28 K HA 0.011 4.283 4.320 -0.080 0.000 0.219 28 K C -0.307 176.222 176.600 -0.118 0.000 1.003 28 K CA -0.671 55.565 56.287 -0.086 0.000 1.156 28 K CB -1.526 30.930 32.500 -0.075 0.000 0.932 28 K HN 0.111 8.256 8.250 -0.067 0.064 0.490 29 L N -0.040 121.104 121.223 -0.132 0.000 2.506 29 L HA -0.115 4.114 4.340 -0.185 0.000 0.281 29 L C -0.568 176.147 176.870 -0.258 0.000 1.228 29 L CA -1.879 52.849 54.840 -0.187 0.000 0.850 29 L CB -1.655 40.296 42.059 -0.179 0.000 1.110 29 L HN -0.975 7.040 8.230 -0.111 0.149 0.496 30 P HA 0.098 4.262 4.420 -0.427 0.000 0.278 30 P C -2.442 174.575 177.300 -0.473 0.000 1.270 30 P CA -1.159 61.580 63.100 -0.603 0.000 0.800 30 P CB -0.592 30.287 31.700 -1.368 0.000 1.142 31 P HA -0.196 4.156 4.420 -0.114 0.000 0.264 31 P C -0.638 176.640 177.300 -0.038 0.000 1.236 31 P CA 0.728 63.747 63.100 -0.134 0.000 0.811 31 P CB -0.777 30.910 31.700 -0.021 0.000 0.840 32 G N 3.635 112.396 108.800 -0.065 0.000 2.270 32 G HA2 -0.326 3.627 3.960 -0.011 0.000 0.224 32 G HA3 -0.326 3.673 3.960 0.066 0.000 0.224 32 G C -1.676 173.119 174.900 -0.176 0.000 1.079 32 G CA -0.195 44.892 45.100 -0.022 0.000 0.807 32 G HN -0.058 8.177 8.290 -0.092 0.000 0.492 33 V N -3.450 116.305 119.914 -0.264 0.000 2.760 33 V HA 0.243 3.881 4.120 -0.804 0.000 0.309 33 V C -2.153 173.833 176.094 -0.180 0.000 1.077 33 V CA -2.646 59.390 62.300 -0.440 0.000 0.910 33 V CB 2.023 33.572 31.823 -0.456 0.000 1.008 33 V HN -0.757 7.320 8.190 -0.189 0.000 0.424 34 D N 3.451 123.806 120.400 -0.075 0.000 2.756 34 D HA 0.235 4.852 4.640 -0.039 0.000 0.226 34 D C 0.549 176.870 176.300 0.034 0.000 1.186 34 D CA -1.143 52.851 54.000 -0.010 0.000 0.845 34 D CB 3.786 44.593 40.800 0.012 0.000 1.610 34 D HN 0.006 8.353 8.370 -0.038 0.000 0.465 35 R N 3.246 123.751 120.500 0.008 0.000 2.170 35 R HA -0.345 4.016 4.340 0.034 0.000 0.242 35 R C 1.885 178.203 176.300 0.030 0.000 1.145 35 R CA 3.268 59.376 56.100 0.014 0.000 0.984 35 R CB -0.112 30.170 30.300 -0.030 0.000 0.869 35 R HN 0.658 8.920 8.270 -0.014 0.000 0.455 36 M N -1.700 117.916 119.600 0.027 0.000 2.108 36 M HA -0.366 4.125 4.480 0.018 0.000 0.257 36 M C 1.023 177.337 176.300 0.024 0.000 1.071 36 M CA 3.550 58.865 55.300 0.025 0.000 1.093 36 M CB 0.404 33.018 32.600 0.023 0.000 1.345 36 M HN -0.508 8.044 8.290 0.021 -0.249 0.403 37 R N -5.848 114.679 120.500 0.044 0.000 2.635 37 R HA 0.316 4.896 4.340 -0.070 -0.282 0.393 37 R C -0.040 176.295 176.300 0.059 0.000 1.070 37 R CA -1.470 54.617 56.100 -0.021 0.000 1.118 37 R CB -1.766 28.469 30.300 -0.108 0.000 1.341 37 R HN -0.452 7.865 8.270 0.094 0.009 0.628 38 L N 2.040 123.339 121.223 0.126 0.000 2.083 38 L HA -0.289 4.245 4.340 0.323 0.000 0.209 38 L C 0.914 177.876 176.870 0.154 0.000 1.083 38 L CA 3.185 58.143 54.840 0.197 0.000 0.752 38 L CB -0.144 42.009 42.059 0.157 0.000 0.899 38 L HN -0.796 7.490 8.230 0.093 0.000 0.433 39 E N -3.391 116.827 120.200 0.030 0.000 2.515 39 E HA -0.287 4.229 4.350 0.276 0.000 0.201 39 E C 0.658 176.939 176.600 -0.532 0.000 1.071 39 E CA 1.833 58.164 56.400 -0.115 0.000 0.880 39 E CB -1.237 28.167 29.700 -0.493 0.000 0.828 39 E HN 0.181 8.526 8.360 -0.003 0.013 0.540 40 R N -3.380 116.874 120.500 -0.410 0.000 2.419 40 R HA 0.106 3.974 4.340 -0.787 0.000 0.235 40 R C 0.114 176.171 176.300 -0.405 0.000 0.899 40 R CA -0.495 55.279 56.100 -0.545 0.000 1.048 40 R CB 1.151 31.160 30.300 -0.485 0.000 1.182 40 R HN -0.372 7.542 8.270 -0.223 0.222 0.544 41 H N -1.875 117.120 119.070 -0.125 0.000 2.548 41 H HA 0.051 4.573 4.556 -0.057 0.000 0.265 41 H C -0.280 175.059 175.328 0.019 0.000 0.969 41 H CA 1.239 57.272 56.048 -0.025 0.000 1.155 41 H CB 1.126 30.928 29.762 0.067 0.000 1.394 41 H HN -0.489 7.661 8.280 0.000 0.130 0.570 42 L N -2.073 119.222 121.223 0.120 0.000 2.371 42 L HA 0.096 4.729 4.340 0.235 -0.153 0.272 42 L C 0.494 177.413 176.870 0.083 0.000 1.124 42 L CA -0.111 54.844 54.840 0.192 0.000 0.816 42 L CB 1.010 43.298 42.059 0.382 0.000 1.129 42 L HN -0.775 7.421 8.230 0.033 0.054 0.448 43 S N 3.000 118.766 115.700 0.111 0.000 2.608 43 S HA -0.084 4.388 4.470 0.002 0.000 0.261 43 S C 0.961 175.621 174.600 0.099 0.000 1.314 43 S CA -0.466 57.769 58.200 0.059 0.000 0.992 43 S CB 1.906 65.139 63.200 0.055 0.000 0.935 43 S HN -0.379 8.189 8.310 0.153 -0.166 0.564 44 A N 0.981 123.838 122.820 0.062 0.000 1.986 44 A HA -0.301 4.091 4.320 0.119 0.000 0.220 44 A C 2.175 179.833 177.584 0.123 0.000 1.171 44 A CA 3.365 55.457 52.037 0.092 0.000 0.640 44 A CB -0.491 18.539 19.000 0.049 0.000 0.811 44 A HN 0.622 8.788 8.150 0.027 0.000 0.451 45 E N -1.893 118.366 120.200 0.099 0.000 2.028 45 E HA -0.365 4.030 4.350 0.075 0.000 0.190 45 E C 2.242 178.910 176.600 0.113 0.000 0.984 45 E CA 2.537 58.991 56.400 0.089 0.000 0.800 45 E CB -0.397 29.345 29.700 0.069 0.000 0.758 45 E HN -0.346 8.042 8.360 0.083 0.021 0.448 46 D N 0.508 120.999 120.400 0.152 0.000 2.092 46 D HA -0.292 4.419 4.640 0.120 0.000 0.193 46 D C 2.185 178.636 176.300 0.251 0.000 0.994 46 D CA 3.258 57.372 54.000 0.189 0.000 0.828 46 D CB -0.179 40.785 40.800 0.273 0.000 0.963 46 D HN -0.750 7.707 8.370 0.145 0.000 0.450 47 F N 0.238 120.277 119.950 0.148 0.000 2.051 47 F HA -0.316 4.486 4.527 0.457 0.000 0.296 47 F C 1.810 177.759 175.800 0.248 0.000 1.122 47 F CA 3.199 61.323 58.000 0.207 0.000 1.201 47 F CB 0.289 39.268 39.000 -0.035 0.000 0.978 47 F HN 0.590 9.013 8.300 0.388 0.110 0.472 48 S N -1.347 114.459 115.700 0.176 0.000 2.500 48 S HA -0.304 4.168 4.470 0.004 0.000 0.239 48 S C 2.282 176.887 174.600 0.008 0.000 0.989 48 S CA 2.958 61.194 58.200 0.060 0.000 0.951 48 S CB -0.444 62.807 63.200 0.086 0.000 0.759 48 S HN -0.331 8.138 8.310 0.265 0.000 0.523 49 R N 1.442 121.944 120.500 0.003 0.000 2.105 49 R HA -0.028 4.281 4.340 -0.051 0.000 0.214 49 R C 1.796 177.991 176.300 -0.175 0.000 1.091 49 R CA 2.298 58.358 56.100 -0.067 0.000 1.007 49 R CB -0.148 30.118 30.300 -0.057 0.000 0.912 49 R HN -0.493 7.630 8.270 0.054 0.180 0.450 50 V N -2.162 117.599 119.914 -0.255 0.000 2.725 50 V HA -0.211 3.590 4.120 -0.532 0.000 0.247 50 V C 1.131 176.894 176.094 -0.552 0.000 1.058 50 V CA 2.219 64.198 62.300 -0.535 0.000 1.080 50 V CB 0.028 31.325 31.823 -0.877 0.000 0.713 50 V HN 0.093 8.209 8.190 -0.124 0.000 0.465 51 F N -2.155 117.582 119.950 -0.354 0.000 2.553 51 F HA -0.003 4.395 4.527 -0.215 0.000 0.282 51 F C 0.326 175.971 175.800 -0.259 0.000 1.089 51 F CA 0.516 58.303 58.000 -0.354 0.000 1.411 51 F CB 1.109 39.676 39.000 -0.722 0.000 1.125 51 F HN 0.138 8.345 8.300 0.025 0.108 0.610 52 A N -4.218 118.572 122.820 -0.050 0.000 3.080 52 A HA -0.371 4.165 4.320 -0.024 -0.230 0.254 52 A C -0.974 176.602 177.584 -0.015 0.000 1.277 52 A CA 0.908 52.925 52.037 -0.032 0.000 1.065 52 A CB -2.094 16.887 19.000 -0.031 0.000 1.160 52 A HN -0.535 7.487 8.150 -0.063 0.090 0.886 53 M N -7.023 112.552 119.600 -0.042 0.000 2.619 53 M HA 0.319 4.913 4.480 0.042 -0.089 0.297 53 M C -0.301 176.080 176.300 0.134 0.000 1.229 53 M CA -1.983 53.332 55.300 0.025 0.000 0.860 53 M CB 3.242 35.862 32.600 0.033 0.000 1.741 53 M HN -0.772 7.384 8.290 -0.138 0.052 0.462 54 S N 1.081 116.897 115.700 0.192 0.000 2.564 54 S HA 0.223 4.853 4.470 0.267 0.000 0.278 54 S C -0.229 174.603 174.600 0.387 0.000 1.333 54 S CA -0.730 57.620 58.200 0.250 0.000 1.048 54 S CB 0.083 63.355 63.200 0.121 0.000 0.900 54 S HN -0.033 8.677 8.310 0.127 -0.325 0.505 55 P HA -0.224 3.613 4.420 -0.973 0.000 0.216 55 P C 1.195 178.436 177.300 -0.097 0.000 1.150 55 P CA 2.918 65.819 63.100 -0.332 0.000 0.843 55 P CB 0.220 31.631 31.700 -0.482 0.000 0.787 56 E N -3.474 116.719 120.200 -0.011 0.000 2.107 56 E HA -0.287 4.046 4.350 -0.028 0.000 0.191 56 E C 2.048 178.685 176.600 0.062 0.000 0.982 56 E CA 2.824 59.226 56.400 0.004 0.000 0.809 56 E CB -1.017 28.680 29.700 -0.004 0.000 0.756 56 E HN 0.547 8.889 8.360 0.005 0.021 0.459 57 E N 0.340 120.605 120.200 0.108 0.000 2.033 57 E HA -0.351 4.028 4.350 0.049 0.000 0.199 57 E C 2.504 179.168 176.600 0.106 0.000 1.011 57 E CA 2.544 59.001 56.400 0.096 0.000 0.815 57 E CB -0.360 29.403 29.700 0.104 0.000 0.755 57 E HN -0.805 7.514 8.360 0.126 0.116 0.451 58 F N 0.278 120.263 119.950 0.058 0.000 2.045 58 F HA -0.364 4.172 4.527 0.016 0.000 0.297 58 F C 2.832 178.613 175.800 -0.032 0.000 1.114 58 F CA 3.513 61.534 58.000 0.034 0.000 1.207 58 F CB -0.121 38.946 39.000 0.112 0.000 0.964 58 F HN -0.374 8.183 8.300 0.427 0.000 0.486 59 G N -3.661 105.272 108.800 0.222 0.000 2.450 59 G HA2 -0.391 3.648 3.960 0.133 0.000 0.220 59 G HA3 -0.391 3.603 3.960 0.057 0.000 0.220 59 G C 0.236 175.149 174.900 0.022 0.000 1.130 59 G CA 1.719 46.879 45.100 0.100 0.000 0.760 59 G HN -0.203 8.216 8.290 0.216 0.000 0.557 60 K N -1.174 119.229 120.400 0.006 0.000 2.404 60 K HA -0.042 4.265 4.320 -0.022 0.000 0.194 60 K C -0.233 176.322 176.600 -0.074 0.000 1.023 60 K CA -0.795 55.477 56.287 -0.024 0.000 1.094 60 K CB -0.130 32.365 32.500 -0.009 0.000 0.841 60 K HN -0.500 7.637 8.250 0.032 0.131 0.523 61 L N -1.706 119.433 121.223 -0.140 0.000 2.718 61 L HA -0.166 4.046 4.340 -0.214 0.000 0.152 61 L C -1.141 175.523 176.870 -0.343 0.000 1.375 61 L CA -0.352 54.324 54.840 -0.274 0.000 2.008 61 L CB 0.650 42.450 42.059 -0.432 0.000 2.549 61 L HN -0.450 7.506 8.230 -0.115 0.205 0.557 62 A N -4.968 117.470 122.820 -0.638 0.000 2.435 62 A HA 0.144 4.238 4.320 -0.376 0.000 0.296 62 A C -0.620 176.544 177.584 -0.700 0.000 1.147 62 A CA -0.788 50.817 52.037 -0.719 0.000 0.775 62 A CB 2.535 20.846 19.000 -1.148 0.000 1.340 62 A HN -0.351 7.309 8.150 -0.817 0.000 0.427 63 L N -0.317 120.653 121.223 -0.421 0.000 2.201 63 L HA -0.103 4.158 4.340 -0.131 0.000 0.212 63 L C 0.800 177.586 176.870 -0.140 0.000 1.105 63 L CA 3.127 57.861 54.840 -0.176 0.000 0.775 63 L CB -0.062 41.997 42.059 -0.000 0.000 0.913 63 L HN 0.500 8.554 8.230 -0.294 0.000 0.440 64 W N -4.638 116.649 121.300 -0.022 0.000 2.523 64 W HA -0.023 4.619 4.660 -0.029 0.000 0.278 64 W C 1.100 177.579 176.519 -0.066 0.000 1.236 64 W CA 1.762 59.085 57.345 -0.037 0.000 1.306 64 W CB -1.260 28.178 29.460 -0.036 0.000 1.101 64 W HN -0.112 7.605 8.180 -0.732 0.024 0.577 65 K N 3.371 123.164 120.400 -1.011 0.000 1.973 65 K HA -0.337 3.806 4.320 -0.294 0.000 0.210 65 K C 2.203 178.488 176.600 -0.525 0.000 1.045 65 K CA 3.694 59.459 56.287 -0.869 0.000 0.937 65 K CB -0.099 31.542 32.500 -1.431 0.000 0.721 65 K HN -0.289 6.635 8.250 -2.064 0.088 0.438 66 R N -2.878 117.233 120.500 -0.648 0.000 2.119 66 R HA -0.462 2.905 4.340 -1.622 0.000 0.246 66 R C 2.225 178.506 176.300 -0.031 0.000 1.146 66 R CA 4.017 59.735 56.100 -0.637 0.000 0.962 66 R CB -0.369 29.794 30.300 -0.228 0.000 0.863 66 R HN 0.494 8.219 8.270 -0.719 0.114 0.442 67 N N -0.540 118.164 118.700 0.006 0.000 2.022 67 N HA -0.303 4.597 4.740 0.268 0.000 0.194 67 N C 2.055 177.575 175.510 0.017 0.000 1.057 67 N CA 3.392 56.499 53.050 0.094 0.000 0.849 67 N CB -0.011 38.496 38.487 0.033 0.000 1.044 67 N HN -0.598 7.720 8.380 -0.094 0.006 0.424 68 E N 0.539 120.729 120.200 -0.017 0.000 2.147 68 E HA -0.394 3.913 4.350 -0.073 0.000 0.199 68 E C 2.626 179.241 176.600 0.024 0.000 1.005 68 E CA 3.045 59.439 56.400 -0.011 0.000 0.810 68 E CB -0.165 29.576 29.700 0.068 0.000 0.736 68 E HN -0.243 8.123 8.360 0.010 0.000 0.460 69 L N -1.141 120.123 121.223 0.069 0.000 1.973 69 L HA -0.457 3.927 4.340 0.073 0.000 0.208 69 L C 1.908 178.946 176.870 0.281 0.000 1.073 69 L CA 3.847 58.801 54.840 0.190 0.000 0.746 69 L CB -0.384 41.888 42.059 0.354 0.000 0.891 69 L HN 0.454 8.665 8.230 -0.001 0.019 0.433 70 K N -1.538 119.194 120.400 0.553 0.000 2.211 70 K HA -0.402 4.242 4.320 0.540 0.000 0.204 70 K C 2.647 179.456 176.600 0.349 0.000 1.047 70 K CA 3.553 60.158 56.287 0.530 0.000 0.935 70 K CB -0.347 32.531 32.500 0.629 0.000 0.728 70 K HN -0.139 8.498 8.250 0.645 0.000 0.452 71 K N -2.771 117.741 120.400 0.187 0.000 2.243 71 K HA -0.192 4.226 4.320 0.164 0.000 0.201 71 K C 1.999 178.614 176.600 0.026 0.000 1.051 71 K CA 2.803 59.106 56.287 0.027 0.000 0.970 71 K CB 0.143 32.471 32.500 -0.287 0.000 0.755 71 K HN 0.240 8.416 8.250 0.153 0.165 0.465 72 K N -1.336 119.065 120.400 0.001 0.000 2.308 72 K HA -0.037 4.272 4.320 -0.019 0.000 0.197 72 K C 1.201 177.755 176.600 -0.078 0.000 1.049 72 K CA 1.368 57.633 56.287 -0.037 0.000 0.991 72 K CB 0.795 33.262 32.500 -0.055 0.000 0.836 72 K HN -0.202 7.848 8.250 0.015 0.208 0.500 73 A N -0.086 122.641 122.820 -0.154 0.000 2.235 73 A HA -0.001 4.105 4.320 -0.357 0.000 0.208 73 A C -0.842 176.773 177.584 0.052 0.000 1.172 73 A CA 0.969 52.830 52.037 -0.294 0.000 0.786 73 A CB 0.133 18.574 19.000 -0.931 0.000 0.804 73 A HN 0.387 8.352 8.150 -0.110 0.119 0.479 74 E N -9.282 110.977 120.200 0.098 0.000 3.413 74 E HA -0.330 4.091 4.350 0.118 0.000 0.300 74 E C -1.742 174.947 176.600 0.148 0.000 0.891 74 E CA 1.355 57.837 56.400 0.136 0.000 1.050 74 E CB -1.996 27.796 29.700 0.153 0.000 1.534 74 E HN 0.438 8.737 8.360 0.063 0.099 0.436 75 L N -5.812 115.532 121.223 0.203 0.000 2.551 75 L HA 0.283 4.713 4.340 0.150 0.000 0.248 75 L C -1.863 175.184 176.870 0.295 0.000 1.509 75 L CA -0.762 54.209 54.840 0.218 0.000 0.842 75 L CB -0.114 42.095 42.059 0.251 0.000 1.087 75 L HN -0.557 7.742 8.230 0.201 0.052 0.512 76 F N 0.000 120.025 119.950 0.125 0.000 0.000 76 F HA 0.000 4.628 4.527 0.169 0.000 0.000 76 F CA 0.000 58.080 58.000 0.133 0.000 0.000 76 F CB 0.000 39.076 39.000 0.127 0.000 0.000 76 F HN 0.000 8.489 8.300 0.315 0.000 0.000